TY - JOUR U1 - Zeitschriftenartikel, wissenschaftlich - begutachtet (reviewed) A1 - Müller, Max A1 - Hagg, Alexander A1 - Strickstrock, Robin A1 - Hülsmann, Marco A1 - Asteroth, Alexander A1 - Kirschner, Karl N. A1 - Reith, Dirk T1 - Determining Lennard-Jones Parameters Using Multiscale Target Data through Presampling-Enhanced, Surrogate-Assisted Global Optimization JF - Journal of Chemical Information and Modeling SN - 1549-9596 SS - 1549-9596 U6 - https://doi.org/10.1021/acs.jcim.2c01231 DO - https://doi.org/10.1021/acs.jcim.2c01231 PM - 36942658 VL - 63 IS - 7 SP - 1872 EP - 1881 PB - American Chemical Society (ACS) ER -